(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid

C12H20N2O6S — CID 124513398

IUPAC(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O6S/c1-21(18,19)13-4-2-3-9(7-13)11(15)14-5-6-20-8-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m1/s1
InChIKeySIVZTMBEEXXVJF-NXEZZACHSA-N
MW320.37 g/mol
LogP-1.03
Rot. Bonds3

About (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 124513398) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID124513398
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O6S/c1-21(18,19)13-4-2-3-9(7-13)11(15)14-5-6-20-8-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m1/s1
InChIKeySIVZTMBEEXXVJF-NXEZZACHSA-N
XLogP-1.03
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611
(2S)-4-hydroxy-1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151967
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137754
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(2R)-1-[(3S)-1-(3-methylsulfonylazetidin-1-yl)sulfonylpiperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 138466850
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125152997
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid (CID 124513398) is (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid is CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C(=O)O)C1.
What is the InChIKey of (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is SIVZTMBEEXXVJF-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-21(18,19)13-4-2-3-9(7-13)11(15)14-5-6-20-8-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9-,10-/m1/s1.
What are the key properties of (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).